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ScientificNameLabel
Alpha-Isomethyl-(E)-Ionol
PHCD compound ID : 2702
Chemical Names :
Alpha-Isomethyl-(E)-Ionol
Molecular Formula : C14H24O1
Molecular Weight : 208.182715
More Details :
Names & Synonyms: 3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol , 3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-ol
Smiles: C/C(=C\C1=C(C)CCCC1(C)C)/[C@H](O)C
InChi : InChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,12,15H,6-8H2,1-5H3/b11-9+/t12-/m1/s1
InChi Key : InChIKey=RGCSRKQFSSXYRE-LMMOQWNQSA-N
PubChem ID : 103499
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.805926
Hydrogen bond donor count : 1 Electric dipole moment : 1.429
XLogP : 3.669 VDW volume : 241.861094
Molecular weight : 208.182715 HOMO-LUMO gap : 9.941000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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